2-[2-(8-ethanoyl-4-nitro-naphthalen-1-yl)carbonyl-5-hexyl-1,2,4-triazol-3-yl]-6-nitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[2-(8-ethanoyl-4-nitro-naphthalen-1-yl)carbonyl-5-hexyl-1,2,4-triazol-3-yl]-6-nitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-(8-acetyl-4-nitro-naphthalene-1-carbonyl)-5-hexyl-1,2,4-triazol-3-yl]-6-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-[(8-acetyl-4-nitro-1-naphthalenyl)-oxomethyl]-5-hexyl-1,2,4-triazol-3-yl]-6-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-(8-acetyl-4-nitronaphthalene-1-carbonyl)-5-hexyl-1,2,4-triazol-3-yl]-6-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-(8-acetyl-4-nitro-1-naphthoyl)-5-hexyl-1,2,4-triazol-3-yl]-6-nitro-benzo[de]isoquinoline-1,3-quinone Formula: C33H26N6O8 MolecularWeight: 634.59494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NN(C(=N1)N2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O)C(=O)C5=C6C(=C(C=C5)[N+](=O)[O-])C=CC=C6C(=O)C

Isomeric SMILES

CCCCCCC1=NN(C(=N1)N2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O)C(=O)C5=C6C(=C(C=C5)[N+](=O)[O-])C=CC=C6C(=O)C

InChI

InChI=1S/C33H26N6O8/c1-3-4-5-6-13-27-34-33(36-30(41)22-12-8-11-21-26(39(46)47)16-14-23(29(21)22)31(36)42)37(35-27)32(43)24-15-17-25(38(44)45)20-10-7-9-19(18(2)40)28(20)24/h7-12,14-17H,3-6,13H2,1-2H3